Molecule FYI-1005853

A

Molecule Summary:

ID: FYI-1005853
Names:
InChIKey: CMTNGGBQOLRRNG-UHFFFAOYSA-N
SMILES: CN1C(=O)NCC1C(=O)NCc2ccc(F)c(C(F)(F)F)c2

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005853 Edit

Molecule Structure InChIKey: CMTNGGBQOLRRNG-UHFFFAOYSA-N

Molecule Structure SMILES String: CN1C(=O)NCC1C(=O)NCc2ccc(F)c(C(F)(F)F)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1005853
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    7.5930    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    3.5077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    3.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    1.9376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    4.4290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    5.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 22 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005853-3D
FYIcenter.com

 35 36  0     1  0  0  0  0  0999 V2000
   -4.5138   -0.2189    1.5918 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8956    2.1653   -1.4306 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8413    1.4169   -0.8125 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5385    2.3691    0.6365 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7733    0.3474   -1.1972 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1337    2.1490    0.3490 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2327    0.0355   -0.1956 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5437    1.0670    1.6880 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2047   -1.8180   -0.5588 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1843   -0.8139    0.3369 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8990   -0.2245    1.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9942   -0.6807   -0.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3952    1.2001    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9489   -0.2731   -1.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0141   -1.9368   -1.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -1.4756   -0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7981   -0.2416   -0.8352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7442   -2.2822    0.4570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9129    0.1857   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8589   -1.8551    1.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4432   -0.6211    0.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5356    1.5056   -0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5373   -1.8486    0.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8372   -0.0984    1.9435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3754   -0.8104    2.5057 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4708    1.7576    2.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2491   -0.2883   -2.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173    0.4815   -1.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4186   -1.2544   -1.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4679   -2.6043    0.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1302   -2.9903   -1.6047 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917   -1.3686   -2.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3784    0.3825   -1.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2973   -3.2455    0.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2719   -2.4828    1.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
  5 12  2  0  0  0  0
  6 13  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 26  1  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 2867👍, 0💬